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CHEBI:177657 - 3,8,15-Trihydroxy-12,13-epoxytrichothec-9-en-4-yl acetate

ChEBI IDCHEBI:177657
ChEBI Name3,8,15-Trihydroxy-12,13-epoxytrichothec-9-en-4-yl acetate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H24O7
Net Charge0
Average Mass340.372
Monoisotopic Mass340.15220
SMILES[H][C@@]12C=C(C)[C@@H](O)C[C@]1(CO)[C@@]1(C)[C@H](OC(C)=O)[C@@H](O)[C@@]([H])(O2)C12CO2
InChIInChI=1S/C17H24O7/c1-8-4-11-16(6-18,5-10(8)20)15(3)13(23-9(2)19)12(21)14(24-11)17(15)7-22-17/h4,10-14,18,20-21H,5-7H2,1-3H3/t10-,11+,12+,13+,14+,15+,16+,17?/m0/s1
InChIKeyCSYVMZMEBKUDRQ-UETZSBHESA-N
Species of MetaboliteComponentSourceComments
Sus scrofa (ncbitaxon:9823) sausage (ENVO:00002166) MetaboLights (MTBLS2871)
Roles Classification
Biological Role:
mycotoxin  Poisonous substance produced by fungi.
ChEBI Ontology
Outgoing Relation(s)
3,8,15-Trihydroxy-12,13-epoxytrichothec-9-en-4-yl acetate (CHEBI:177657) is a trichothecene (CHEBI:55517)
IUPAC Name 
[(1S,2R,4S,7R,9R,10R,11S)-4,10-dihydroxy-2-(hydroxymethyl)-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-11-yl] acetate
Manual XrefsDatabases
137724ChemSpider